SCHEMBL6237732

SCHEMBL6237732

C[C@@H]1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)O)[C@@H](C)O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.54
ADAM17 P78536 8/20 0.54
MMP13 P45452 2/20 0.54
MMP8 P22894 4/20 0.52
MMP3 P08254 4/20 0.52
MMP9 P14780 2/20 0.49
S1PR5 Q9H228 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236919 1.00 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7765006 1.00 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241314 1.00 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240863 0.91 ADAM17 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7765805 0.90 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6239585 0.90 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238754 0.90 MMP1 (0.52) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6427714 0.90 MMP1 (0.65) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7138231 0.90 MMP1 (0.65) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6427715 0.90 MMP1 (0.65) MMP1ADAM17MMP13MMP8MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MMP1 15/4885ADAM17 19/4885MMP13 34/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.